N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonyl-ethanamide

Systemtic Name: N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfonyl-ethanamide Openeye Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfonyl-acetamide CAS Name: N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfonylacetamide IUPAC Name: N-(6-nitro-3-prop-2-enyl-1,3-benzothiazol-2-ylidene)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfonylacetamide Traditional Name: N-(3-allyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(2-keto-2-pyrrolidino-ethyl)sulfonyl-acetamide Formula: C18H20N4O6S2 MolecularWeight: 452.5046

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC3

Isomeric SMILES

C=CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCC3

InChI

InChI=1S/C18H20N4O6S2/c1-2-7-21-14-6-5-13(22(25)26)10-15(14)29-18(21)19-16(23)11-30(27,28)12-17(24)20-8-3-4-9-20/h2,5-6,10H,1,3-4,7-9,11-12H2